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Lattice Thermal Conductivity of Mg3(Bi,Sb)2 Nanocomposites: A First-Principles Study 期刊论文
NANOMATERIALS, 2023, 卷号: 13, 期号: 22, 页码: 12
作者:  Peng, Qing;  Yuan, Xiaoze;  Zhao, Shuai;  Chen, Xiao-Jia
收藏  |  浏览/下载:0/0  |  提交时间:2024/01/08
Hydrogen trapping in vanadium carbide alloyed with transition metals 期刊论文
NUCLEAR MATERIALS AND ENERGY, 2023, 卷号: 36, 页码: 11
作者:  Tang, Shuai;  Li, Linxian;  Yan, Haile;  Jin, Jianfeng;  Peng, Qing
收藏  |  浏览/下载:6/0  |  提交时间:2023/11/28
Active-learning search for unitcell structures: A case study on Mg3Bi2-xSbx 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 226, 页码: 112260
作者:  Peng Q(彭庆);  Yuan XZ(袁晓泽);  Zhao S(赵帅);  Zhou, Yuwei;  Wen, Xiaodong
收藏  |  浏览/下载:10/0  |  提交时间:2023/07/17
Calculation and prediction of sliding energy barriers by ffrst-principles combined with machine learning 期刊论文
Ceramics International, 2023, 期号: 49, 页码: 24752–24761
作者:  Yuan Niu;  Yun Wang;  Minjuan He;  Wenhao He;  Zhenghua Zha
收藏  |  浏览/下载:1/0  |  提交时间:2024/01/02
Unconventional energetics of small vacancy clusters in BCC high-entropy alloy Nb0.75ZrTiV0.5 期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2023, 卷号: 146, 页码: 61-71
作者:  Shi, Tan;  Qiu, Xi;  Zhou, Yundi;  Lyu, Sixin;  Li, Jing
收藏  |  浏览/下载:87/0  |  提交时间:2023/06/15
Green hydrophobic deep eutectic solvents as low-viscosity and efffcient lubricants 期刊论文
Tribology International, 2023, 期号: 185, 页码: 108531
作者:  Yuting Li;  Cheng Cao;  Meng Cai;  Hao Li;  Xiaoqiang Fan
收藏  |  浏览/下载:2/0  |  提交时间:2024/01/02
The effect of loading modes on the strain-dependent energy gap of CdTe quantum dots: A first-principles study 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2023, 卷号: 217, 页码: 7
作者:  Wang, Jundiao;  Shi, Ronghao;  Xiao, Pan
收藏  |  浏览/下载:12/0  |  提交时间:2023/02/20
First-principles calculation of the resistance to lead-bismuth eutectic corrosion on Fe (111) surface of austenitic stainless steel 期刊论文
Surface Science, 2022, 卷号: 725
作者:  Long, Xinglin;  Shi, Jingli;  Zhu, Jun;  Wan, Lei;  Gao, Tao
收藏  |  浏览/下载:30/0  |  提交时间:2022/08/09
Effect of alloying elements on the interface of fcc-Fe/Ni3Al by first principle calculations 期刊论文
Computational Materials Science, 2022, 卷号: 214
作者:  Guo, Xin;  Zhou, Jitian;  Zhang, Xingxing;  Yang, Ping;  Ren, Junqiang
收藏  |  浏览/下载:27/0  |  提交时间:2022/09/22
Unveiling passivation roles of PEA(+) in CsPbI2Br surface 期刊论文
CHEMICAL PHYSICS, 2022, 卷号: 562
作者:  Hu, Wei;  Si, Fengjuan;  Yang, Yutong;  Xue, Hongtao;  Li, Wensheng
收藏  |  浏览/下载:22/0  |  提交时间:2022/08/09


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